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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50007872'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(RAT)
BDBM50007872
PNG
(3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...)
Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17|
Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 267: 961-70 (1993)


Article DOI: 10.1016/j.bioorg.2015.05.005
BindingDB Entry DOI: 10.7270/Q2125R5V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007872
PNG
(3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...)
Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17|
Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)
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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database




J Biol Chem 268: 18200-4 (1993)


Article DOI: 10.1021/cb500917m
BindingDB Entry DOI: 10.7270/Q2V1239R
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007872
PNG
(3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...)
Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17|
Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



National Institute of Neurological Disorders and Stroke

Curated by PDSP Ki Database




J Biol Chem 268: 18200-4 (1993)


Article DOI: 10.1021/cb500917m
BindingDB Entry DOI: 10.7270/Q2V1239R
More data for this
Ligand-Target Pair